(1R,4As,4Br,10Bs,12As)-12A-Methyl-1,2,3,4,4A,4B,5,6,10B,11,12,12A-Dodecahydro-1,8-Chrysenediol

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Formula C19H26O2
IUPAC Name (1r,4as,4br,10bs,12as)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1h-chrysene-1,8-diol
Molecular Mass 286.409 g·mol−1
Heat of Formation -465.1 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 359.24 Å 3
Surface Area 297.23 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,4br,10bs,12as)-12a-methyl-2,3,4,4a,4b,5,6,10b,11,12-decahydro-1h-chrysene-1,8-diol
  • d-homoestra-1,3,5(10)-triene-3,17-diol
  • d-homoestra-1,3,5(10)-triene-3,17a-diol, (17aalpha)-
  • homo-estradiol
  • homoestradiol
CAS Number(s)
  • 22059-16-1
InChIKey JJKPSTJJBVJKKQ-FQBWVUSXSA-N
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